General Information of the Compound
| Compound ID |
CP0248165
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| Compound Name |
2-benzyl-5-(3-methoxyphenyl)-1,3-dihydroisoindole
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| Structure |
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| Formula |
C22H21NO
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| Molecular Weight |
315.416
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| Canonical SMILES |
COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1
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| InChI |
InChI=1S/C22H21NO/c1-24-22-9-5-8-18(13-22)19-10-11-20-15-23(16-21(20)12-19)14-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3
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| InChIKey |
LGSGJWDXMWVXEB-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01513, 5-hydroxytryptamine receptor 5A
Protein ID: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT01598, Alpha-2C adrenergic receptor
Protein ID: PT01161, D(4) dopamine receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT04903, Sigma intracellular receptor 2
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter